SCHEMBL6151491

SCHEMBL6151491

CNc1ccc(N(C)CCCl)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HCAR3 P49019 1/20 0.47
ALDH1A1 P00352 6/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
CDC25B P30305 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH3A1 P30838 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL109662 0.86 ALDH1A1 (0.56) MAPTNPSR1HCAR3ALDH1A1HTT
SCHEMBL30723003 0.86 ALDH1A1 (0.56) MAPTNPSR1HCAR3ALDH1A1HTT
SCHEMBL17693662 0.80 MAPT (0.49) MAPTNPSR1HCAR3ALDH1A1HTT
SCHEMBL14174530 0.79 MAPT (0.46) MAPTNPSR1HCAR3ALDH1A1HTT
Ethane SCHEMBL5417384 0.77 HCAR3 (0.55) MAPTNPSR1HCAR3ALDH1A1HTT
SCHEMBL109327 0.76 MAPT (0.46) MAPTNPSR1HCAR3ALDH1A1HTT
SCHEMBL6151869 0.76 MAPT (0.39) MAPTNPSR1HCAR3ALDH1A1HTT
Hc Blue No. 1 SCHEMBL2467623 0.76 ALDH1A1 (0.73) MAPTNPSR1HCAR3ALDH1A1HTT
Hc Blue No. 1 SCHEMBL29683680 0.76 ALDH1A1 (0.73) MAPTNPSR1HCAR3ALDH1A1HTT
SCHEMBL12286368 0.75 ALDH1A1 (0.52) MAPTNPSR1HCAR3ALDH1A1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1018508-B1 Cationic monobenzenic nitrophenylene diamines, their use for dyeing keratinic fibres, dye compositions containing them and dye processes OREAL (FR) 2005-05-04 EP disclosed
US-6468316-B1 DIRECT DYES HAVING COLORFASTNESS AND SOLUBILITY, USED FOR HUMAN HAIR L'OREAL S.A. (FR) 2002-10-22 US disclosed
US-6464731-B1 1-(3-(4-AMINO-2-CHLORO-5-NITROPHENYLAMINO)PROPYL)-3-METHYL-3H -IMIDAZOL-1-IUM BROMIDE USED AS DIRECT HAIR DYES; SOLUBILITY AND PHOTOSTABILITY L'OREAL S.A. (FR) 2002-10-15 US disclosed
US-6383230-B1 COLORFASTNESS, PHOTOSTABILITY, WATERPROOFING, WEATHERPROOFING L'OREAL (FR) 2002-05-07 US disclosed
EP-1022271-A1 Cationic monobenzenic dyes, their use for the oxydative dyeing of keratinic fibres ,dye compositions and dyeing processes L'OREAL (FR) 2000-07-26 EP disclosed
EP-1020176-A2 Use of cationic bis-nitrobenzenes for dyeing of keratinic fibers, dyeing compositions and dyeing process L'OREAL (FR) 2000-07-19 EP disclosed
EP-1018508-A1 Cationic monobenzenic nitrophenylene diamines, their use for dyeing keratinic fibres, dye compositions containing them and dye processes L'OREAL (FR) 2000-07-12 EP disclosed